6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene

C14H22O — CID 529449

IUPAC6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCC1(C)OC23C=CCCC2(C)CCC1C3
InChIInChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyIEZDOTGOEOFYHV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds

About 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene

6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene (PubChem CID 529449) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene.

Molecular Properties

Compound Name6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
PubChem CID529449
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
SMILESCC1(C)OC23C=CCCC2(C)CCC1C3
InChIInChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyIEZDOTGOEOFYHV-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The IUPAC name of 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene (CID 529449) is 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene.
What is the SMILES notation for 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The canonical SMILES for 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene is CC1(C)OC23C=CCCC2(C)CCC1C3.
What is the InChIKey of 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
The InChIKey is IEZDOTGOEOFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3.
What are the key properties of 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene?
6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene has a molecular weight of 206.33 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene is sourced from PubChem (CID 529449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).